(Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-methyliminopent-3-enamide

C12H17N3O3 — CID 155031244

IUPAC(Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-methyliminopent-3-enamide
SMILESC/C=C\C(=N/C)C(=O)N(C)C1CCC(=O)NC1=O
InChIInChI=1S/C12H17N3O3/c1-4-5-8(13-2)12(18)15(3)9-6-7-10(16)14-11(9)17/h4-5,9H,6-7H2,1-3H3,(H,14,16,17)/b5-4-,13-8+
InChIKeyOVJFPXNVJGMIBE-YQBUSFMTSA-N
MW251.29 g/mol
LogP-0.10
Rot. Bonds3

About (Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-methyliminopent-3-enamide

(Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-methyliminopent-3-enamide (PubChem CID 155031244) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-methyliminopent-3-enamide.

Molecular Properties

Compound Name(Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-methyliminopent-3-enamide
PubChem CID155031244
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-methyliminopent-3-enamide
SMILESC/C=C\C(=N/C)C(=O)N(C)C1CCC(=O)NC1=O
InChIInChI=1S/C12H17N3O3/c1-4-5-8(13-2)12(18)15(3)9-6-7-10(16)14-11(9)17/h4-5,9H,6-7H2,1-3H3,(H,14,16,17)/b5-4-,13-8+
InChIKeyOVJFPXNVJGMIBE-YQBUSFMTSA-N
XLogP-0.10
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-methyliminopent-3-enamide?
The IUPAC name of (Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-methyliminopent-3-enamide (CID 155031244) is (Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-methyliminopent-3-enamide.
What is the SMILES notation for (Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-methyliminopent-3-enamide?
The canonical SMILES for (Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-methyliminopent-3-enamide is C/C=C\C(=N/C)C(=O)N(C)C1CCC(=O)NC1=O.
What is the InChIKey of (Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-methyliminopent-3-enamide?
The InChIKey is OVJFPXNVJGMIBE-YQBUSFMTSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-4-5-8(13-2)12(18)15(3)9-6-7-10(16)14-11(9)17/h4-5,9H,6-7H2,1-3H3,(H,14,16,17)/b5-4-,13-8+.
What are the key properties of (Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-methyliminopent-3-enamide?
(Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-methyliminopent-3-enamide has a molecular weight of 251.29 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-methyliminopent-3-enamide is sourced from PubChem (CID 155031244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).